# generated using pymatgen data_ZrSc(CoB4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.76609053 _cell_length_b 11.18958282 _cell_length_c 3.21759275 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.92500595 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSc(CoB4)2 _chemical_formula_sum 'Zr2 Sc2 Co4 B16' _cell_volume 207.59938107 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Zr Zr0 1 0.62767491 0.34991505 0.00000000 1.0 Zr Zr1 1 0.37232509 0.65008495 0.00000000 1.0 Sc Sc2 1 0.13031395 0.14994906 0.00000000 1.0 Sc Sc3 1 0.86968605 0.85005094 0.00000000 1.0 Co Co4 1 0.63671831 0.08973775 0.00000000 1.0 Co Co5 1 0.36328169 0.91026225 0.00000000 1.0 Co Co6 1 0.13571023 0.41007454 0.00000000 1.0 Co Co7 1 0.86428977 0.58992546 0.00000000 1.0 B B8 1 0.78904397 0.18567572 0.50000000 1.0 B B9 1 0.21095603 0.81432428 0.50000000 1.0 B B10 1 0.28793245 0.31283865 0.50000000 1.0 B B11 1 0.71206755 0.68716135 0.50000000 1.0 B B12 1 0.86540583 0.03192604 0.50000000 1.0 B B13 1 0.13459417 0.96807396 0.50000000 1.0 B B14 1 0.36609119 0.46652086 0.50000000 1.0 B B15 1 0.63390881 0.53347914 0.50000000 1.0 B B16 1 0.88700377 0.45242761 0.50000000 1.0 B B17 1 0.11299623 0.54757239 0.50000000 1.0 B B18 1 0.38585139 0.04702555 0.50000000 1.0 B B19 1 0.61414861 0.95297445 0.50000000 1.0 B B20 1 0.97789502 0.30607310 0.50000000 1.0 B B21 1 0.02210498 0.69392690 0.50000000 1.0 B B22 1 0.47655792 0.19217974 0.50000000 1.0 B B23 1 0.52344208 0.80782026 0.50000000 1.0